SCHEMBL6789286

SCHEMBL6789286

C[CH]C(=O)OCCC(C)CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.41
ATM Q13315 1/20 0.36
HCAR2 Q8TDS4 4/20 0.34
TSHR P16473 3/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CHRNB2 P17787 5/20 0.33
CHRNA4 P43681 5/20 0.33
CHRNB4 P30926 3/20 0.33
CHRNA3 P32297 3/20 0.33
MAPT P10636 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15993068 0.86 ATM (0.52) ALOX15ATMHCAR2TSHRHPGD
SCHEMBL11746546 0.86 ATM (0.52) ALOX15ATMHCAR2TSHRHPGD
SCHEMBL11744199 0.86 ATM (0.52) ALOX15ATMHCAR2TSHRHPGD
SCHEMBL1398258 0.82 TSHR (0.55) ALOX15ATMHCAR2TSHRHPGD
SCHEMBL697493 0.81 TDP1 (0.46) ALOX15ATMTSHRLMNATDP1
Ammonia Solution, Strong SCHEMBL28380332 0.81 TSHR (0.53) ALOX15ATMHCAR2TSHRHPGD
SCHEMBL11744203 0.79 HCAR2 (0.61) ALOX15ATMHCAR2LMNATDP1
SCHEMBL697129 0.79 MAPT (0.44) ATMHCAR2TSHRMAPT
SCHEMBL3088928 0.79 ALDH1A1 (0.42) ALOX15CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL873122 0.77 ALOX15 (0.42) ALOX15TSHRCHRNB2CHRNA4CHRNB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040248981-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-12-09 US disclosed
US-20040010009-A1 Benzamidine derivatives SANKYO COMPANY, LIMITED (JP) 2004-01-15 US disclosed
US-6555556-B1 N-(4-(1-acetimidoylpiperidin-4-yl)oxyphenyl)-N-((E)-3-(3 -amidinophenyl)-2-methyl-2-propenyl)sulfamoylacetic acid dihydrochloride for example; factor Xa inhibitors SANKYO COMPANY, LIMITED (JP) 2003-04-29 US disclosed
EP-1245564-A1 BENZAMIDINE DERIVATIVES Sankyo Company, Limited (JP) 2002-10-02 EP disclosed
US-6204222-B1 SUITABLE AS HERBICIDES AND FOR DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 2001-03-20 US disclosed
US-5885934-A HERBICIDES OR FOR THE DESICCATION/DEFOLIATION OF PLANTS BASF AKTIENGESELLSCHAFT (DE) 1999-03-23 US disclosed
US-5817603-A HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-10-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040010009-A1 Benzamidine derivatives HABP2, F7, F2 ALOX15 2845/4885ATM 1834/4885HCAR2 3289/4885
US-20040248981-A1 Benzamidine derivatives HABP2, F7, F2 ALOX15 2775/4885ATM 1861/4885HCAR2 3294/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.